=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 48 rings
        ring        int.           center             anis.    iso.
       TYR 19     0.840    43.124  72.877 -18.903  -99.200  -91.000
       TYR 21     0.840    35.859  76.892 -20.179  -99.200  -91.000
       HIS 23     0.900    39.590  88.224 -23.252  -99.200  -91.000
       TYR 24     0.840    37.318  89.851 -17.909  -99.200  -91.000
       HIS 30     0.900    40.800  65.823 -12.745  -99.200  -91.000
       PHE 32     1.000    48.514  72.830  -9.067  -99.200  -91.000
       HIS 39     0.900    52.688  71.810  -2.054  -99.200  -91.000
       HIS 112     0.900    24.216  78.936 -22.068  -99.200  -91.000
       PHE 113     1.000    31.146  79.372 -13.955  -99.200  -91.000
       HIS 117     0.900    24.285  73.851 -21.140  -99.200  -91.000
       HIS 123     0.900    20.154  62.056 -15.496  -99.200  -91.000
       HIS 133     0.900    19.711  46.225 -23.460  -99.200  -91.000
       HIS 136     0.900    18.271  48.636 -31.794  -99.200  -91.000
       PHE 148     1.000    14.518  51.597  -9.226  -99.200  -91.000
       TRP 149     1.040    19.046  57.603 -16.000  -99.200  -91.000
      TRP6 149     1.020    20.598  58.180 -14.319  -99.200  -91.000
       PHE 172     1.000     9.144  47.137 -27.219  -99.200  -91.000
       PHE 178     1.000    12.856  65.311 -20.093  -99.200  -91.000
       HIS 249     0.900    34.057  71.312 -10.116  -99.200  -91.000
       PHE 253     1.000    17.599  69.812  -6.605  -99.200  -91.000
       HIS 258     0.900    27.152  65.906  -2.089  -99.200  -91.000
       TYR 273     0.840    41.416  81.904   8.310  -99.200  -91.000
       PHE 280     1.000    17.319  73.226   0.826  -99.200  -91.000
       PHE 289     1.000    31.471  70.725   4.436  -99.200  -91.000
       PHE 292     1.000    28.137  61.458   1.461  -99.200  -91.000
       PHE 299     1.000    36.418  68.316   3.058  -99.200  -91.000
       TYR 300     0.840    34.943  67.438  11.953  -99.200  -91.000
       TYR 315     0.840     8.217  82.653   8.150  -99.200  -91.000
       HIS 316     0.900    12.133  79.856  11.585  -99.200  -91.000
       HIS 325     0.900     7.138  96.280   6.985  -99.200  -91.000
       PHE 336     1.000    18.792  83.752  20.419  -99.200  -91.000
       HIS 342     0.900    19.097  75.406  12.650  -99.200  -91.000
       PHE 349     1.000    27.222  67.663  13.330  -99.200  -91.000
       PHE 360     1.000    17.371  91.470   5.662  -99.200  -91.000
       TYR 370     0.840    16.001  89.503  22.503  -99.200  -91.000
       PHE 388     1.000    22.514  93.810  -1.126  -99.200  -91.000
       TYR 413     0.840    33.402  62.196  11.489  -99.200  -91.000
       TYR 415     0.840    25.794  59.027   9.735  -99.200  -91.000
       TYR 432     0.840    16.594  65.635  10.808  -99.200  -91.000
       PHE 439     1.000    12.067  54.179   9.468  -99.200  -91.000
       PHE 449     1.000    15.596  47.531  -3.949  -99.200  -91.000
       HIS 453     0.900    18.583  43.949  -4.355  -99.200  -91.000
       PHE 455     1.000    22.758  49.076  -2.689  -99.200  -91.000
       HIS 471     0.900     7.515  65.214  10.341  -99.200  -91.000
       TYR 482     0.840     9.385  66.607  15.299  -99.200  -91.000
       PHE 484     1.000    12.142  63.293  10.268  -99.200  -91.000
       PHE 490     1.000    16.096  58.539  -3.817  -99.200  -91.000
       PHE 497     1.000    23.782  60.516  -1.519  -99.200  -91.000